CID 962510

537010-30-3

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C=O
InChI
InChI=1S/C16H14N2O/c1-12-6-8-13(9-7-12)10-18-15-5-3-2-4-14(15)17-16(18)11-19/h2-9,11H,10H2,1H3
InChIKey
GHLJKKLRCGLZRL-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]benzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.4
[M+Na]+ 273.09983 167.6
[M-H]- 249.10333 162.3
[M+NH4]+ 268.14443 174.1
[M+K]+ 289.07377 162.0
[M+H-H2O]+ 233.10787 147.8
[M+HCOO]- 295.10881 179.9
[M+CH3COO]- 309.12446 169.7
[M+Na-2H]- 271.08528 162.4
[M]+ 250.11006 160.0
[M]- 250.11116 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.